mp-1188559/YAgSe2/harm

Harmonic properties

../../_images/fig_bandos_pr16194.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20655.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16193.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215787.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times26669.png

(a) Computation time